4-[[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2,6-diiodophenoxy]methyl]benzoic acid
Formula:C29H22N2O5I2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2,6-diiodophenoxy]methyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2,6-diiodophenoxy]methyl]benzoic acid |
| MolecularFormula | C29H22N2O5I2 |
| Smiles | OC(C(N/N=C\c(cc1I)cc(I)c1OCc(cc1)ccc1C(O)=O)=O)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C29H22I2N2O5/c30-24-15-20(16-25(31)26(24)38-18-19-11-13-21(14-12-19)27(34)35)17-32-33-28(36)29(37,22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-17,37H,18H2,(H,33,36)(H,34,35) |
| InChIK | ZPKSZYJLPZGVGY-UHFFFAOYSA-N |
| TotalMolweight | 732.303 |
| Molweight | 732.303 |
| MonoisotopicMass | 731.961819 |
| CLogP | 5.1893 |
| CLogS | -7.813 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 423.69 |
| Relative PSA | 0.20121 |
| PolarSurfaceArea | 108.22 |
| Druglikeness | 5.3743 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55263 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 5 |
| Symmetricatoms | 13 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2,6-diiodophenoxy]methyl]benzoic acid | 2 - 4-[[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]-2,6-diiodophenoxy]methyl]benzoic acid
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